data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -2.59 _LACS_plot.Line_1_terminator_val_y_1 -1.54 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.39 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 5.29 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 HIS 3.30 4.67 0 24 MET -1.97 0.72 0 11 THR 0.26 0.39 1 13 TYR -0.02 0.11 1 14 ASP -0.37 -0.01 1 15 SER 0.12 0.37 1 16 GLU 0.01 0.28 1 17 GLU -0.35 0.12 1 18 GLU -0.14 0.28 1 19 GLU -0.22 0.29 1 20 GLU 0.07 0.30 1 21 SER 1.09 1.76 1 25 SER -1.34 -1.17 1 26 TYR 5.26 4.61 1 27 ASP 3.49 3.24 1 28 GLU 2.57 3.00 1 29 LYS 4.70 4.19 1 30 ARG 4.45 3.05 1 31 GLN 3.55 2.57 1 32 LEU 3.87 2.77 1 33 SER 4.14 3.30 1 34 LEU 3.44 2.84 1 35 ASP 4.26 3.64 1 36 ILE 5.57 4.50 1 37 ASN 2.07 2.02 1 38 LYS -0.11 0.42 1 39 LEU 0.61 0.44 1 42 GLU 3.65 2.57 1 43 LYS -0.03 0.00 1 44 LEU 3.48 2.80 1 46 ARG 3.17 1.43 1 47 VAL 6.59 4.82 1 48 VAL 6.05 4.57 1 50 ILE 5.11 4.51 1 51 ILE 5.98 5.40 1 52 GLN 4.41 4.17 1 53 ALA 2.20 1.75 1 54 ARG -2.31 -0.24 1 55 GLU -1.11 -1.54 1 57 SER 3.03 2.21 1 58 LEU -1.05 -0.70 1 59 ARG 3.27 3.09 1 60 ASP 0.13 -0.02 1 61 SER 0.34 0.41 1 62 ASN 0.19 0.02 1 64 GLU 1.82 1.29 1 65 GLU -2.22 -1.08 1 66 ILE 0.65 0.59 1 67 GLU -2.59 -1.72 1 68 ILE 1.79 0.79 1 69 ASP -2.12 -1.81 1 70 PHE 3.65 2.13 1 71 GLU 1.40 1.00 1 72 THR -0.41 -0.40 1 73 LEU -1.95 -1.01 1 74 LYS 1.78 1.45 1 76 SER 4.59 2.48 1 77 THR 6.70 4.21 1 78 LEU 4.90 3.53 1 79 ARG 3.34 1.70 1 80 GLU 4.09 3.02 1 81 LEU 3.04 3.20 1 82 GLU 2.71 3.31 1 83 ARG 4.42 4.01 1 84 TYR 4.21 3.72 1 85 VAL 6.67 5.27 1 86 LEU 4.29 3.28 1 87 SER 3.72 2.93 1 89 LEU 0.47 0.41 1 90 ARG 3.28 3.00 1 97 TYR 0.37 -0.02 1 98 THR -0.65 -0.20 1 99 ILE -0.04 0.02 1 100 LYS -0.26 -0.12 1 101 LYS 0.08 0.07 1 103 VAL 0.32 0.31 1 105 LYS -1.27 -0.09 1 106 THR -1.80 -0.48 1 107 LYS 3.80 3.00 1 108 GLU 3.06 2.82 1 109 GLU 2.04 2.28 1 110 LEU 2.66 2.21 1 111 ALA 2.79 1.99 1 112 LEU 2.54 2.13 1 113 GLU 2.63 2.43 1 114 LYS 2.86 1.95 1 115 LYS 3.10 2.71 1 116 ARG 2.84 2.33 1 117 GLU 2.33 1.90 1 118 LEU 2.25 1.97 1 119 GLU 1.76 1.68 1 120 LYS 2.16 1.67 1 121 ARG 1.75 1.35 1 122 LEU 1.42 0.96 1 123 GLN 0.93 0.89 1 124 ASP 0.47 0.54 1 125 VAL 1.09 0.55 1 126 SER 0.92 1.05 1 128 GLN 0.08 0.07 1 129 LEU 0.57 0.38 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -2.59 _LACS_plot.Line_1_terminator_val_y_1 1.05 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.61 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 -1.41 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 49 HIS 3.30 1.37 0 24 MET -1.97 2.69 0 11 THR 0.26 0.13 1 13 TYR -0.02 0.13 1 14 ASP -0.37 0.36 1 15 SER 0.12 0.25 1 16 GLU 0.01 0.27 1 17 GLU -0.35 0.47 1 18 GLU -0.14 0.42 1 19 GLU -0.22 0.51 1 20 GLU 0.07 0.23 1 21 SER 1.09 0.67 1 25 SER -1.34 0.17 1 26 TYR 5.26 -0.65 1 27 ASP 3.49 -0.25 1 28 GLU 2.57 0.43 1 29 LYS 4.70 -0.51 1 30 ARG 4.45 -1.40 1 31 GLN 3.55 -0.98 1 32 LEU 3.87 -1.10 1 33 SER 4.14 -0.84 1 34 LEU 3.44 -0.60 1 35 ASP 4.26 -0.62 1 36 ILE 5.57 -1.07 1 37 ASN 2.07 -0.05 1 38 LYS -0.11 0.53 1 39 LEU 0.61 -0.17 1 42 GLU 3.65 -1.08 1 43 LYS -0.03 0.03 1 44 LEU 3.48 -0.68 1 46 ARG 3.17 -1.74 1 47 VAL 6.59 -1.77 1 48 VAL 6.05 -1.48 1 50 ILE 5.11 -0.60 1 51 ILE 5.98 -0.58 1 52 GLN 4.41 -0.24 1 53 ALA 2.20 -0.45 1 54 ARG -2.31 2.07 1 55 GLU -1.11 -0.43 1 57 SER 3.03 -0.82 1 58 LEU -1.05 0.35 1 59 ARG 3.27 -0.18 1 60 ASP 0.13 -0.15 1 61 SER 0.34 0.07 1 62 ASN 0.19 -0.17 1 64 GLU 1.82 -0.53 1 65 GLU -2.22 1.14 1 66 ILE 0.65 -0.06 1 67 GLU -2.59 0.87 1 68 ILE 1.79 -1.00 1 69 ASP -2.12 0.31 1 70 PHE 3.65 -1.52 1 71 GLU 1.40 -0.40 1 72 THR -0.41 0.01 1 73 LEU -1.95 0.94 1 74 LYS 1.78 -0.33 1 76 SER 4.59 -2.11 1 77 THR 6.70 -2.49 1 78 LEU 4.90 -1.37 1 79 ARG 3.34 -1.64 1 80 GLU 4.09 -1.07 1 81 LEU 3.04 0.16 1 82 GLU 2.71 0.60 1 83 ARG 4.42 -0.41 1 84 TYR 4.21 -0.49 1 85 VAL 6.67 -1.40 1 86 LEU 4.29 -1.01 1 87 SER 3.72 -0.79 1 89 LEU 0.47 -0.06 1 90 ARG 3.28 -0.28 1 97 TYR 0.37 -0.39 1 98 THR -0.65 0.45 1 99 ILE -0.04 0.06 1 100 LYS -0.26 0.14 1 101 LYS 0.08 -0.01 1 103 VAL 0.32 -0.01 1 105 LYS -1.27 1.18 1 106 THR -1.80 1.32 1 107 LYS 3.80 -0.80 1 108 GLU 3.06 -0.24 1 109 GLU 2.04 0.24 1 110 LEU 2.66 -0.45 1 111 ALA 2.79 -0.80 1 112 LEU 2.54 -0.41 1 113 GLU 2.63 -0.20 1 114 LYS 2.86 -0.91 1 115 LYS 3.10 -0.39 1 116 ARG 2.84 -0.51 1 117 GLU 2.33 -0.43 1 118 LEU 2.25 -0.28 1 119 GLU 1.76 -0.08 1 120 LYS 2.16 -0.49 1 121 ARG 1.75 -0.40 1 122 LEU 1.42 -0.46 1 123 GLN 0.93 -0.04 1 124 ASP 0.47 0.07 1 125 VAL 1.09 -0.54 1 126 SER 0.92 0.13 1 128 GLN 0.08 -0.01 1 129 LEU 0.57 -0.19 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -2.59 _LACS_plot.Line_1_terminator_val_y_1 0.18 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.15 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 32 LEU 3.87 -0.01 0 85 VAL 6.67 -0.90 0 68 ILE 1.79 -0.60 0 11 THR 0.26 -0.12 1 13 TYR -0.02 0.01 1 14 ASP -0.37 -0.04 1 15 SER 0.12 -0.07 1 16 GLU 0.01 -0.09 1 17 GLU -0.35 -0.10 1 18 GLU -0.14 -0.10 1 19 GLU -0.22 -0.15 1 20 GLU 0.07 -0.10 1 21 SER 1.09 -0.36 1 24 MET -1.97 0.09 1 25 SER -1.34 0.25 1 26 TYR 5.26 -0.44 1 27 ASP 3.49 -0.38 1 28 GLU 2.57 -0.37 1 29 LYS 4.70 -0.57 1 30 ARG 4.45 -0.52 1 31 GLN 3.55 -0.55 1 33 SER 4.14 -0.54 1 34 LEU 3.44 -0.31 1 35 ASP 4.26 -0.31 1 36 ILE 5.57 -0.51 1 37 ASN 2.07 -0.11 1 38 LYS -0.11 0.04 1 39 LEU 0.61 -0.34 1 42 GLU 3.65 -0.06 1 43 LYS -0.03 0.24 1 44 LEU 3.48 -0.18 1 46 ARG 3.17 -0.26 1 47 VAL 6.59 -0.78 1 48 VAL 6.05 -0.64 1 49 HIS 3.30 -0.39 1 50 ILE 5.11 -0.62 1 51 ILE 5.98 -0.76 1 52 GLN 4.41 -0.62 1 53 ALA 2.20 -0.27 1 54 ARG -2.31 -0.01 1 55 GLU -1.11 0.25 1 57 SER 3.03 -0.16 1 58 LEU -1.05 0.30 1 59 ARG 3.27 -0.35 1 60 ASP 0.13 0.09 1 61 SER 0.34 -0.09 1 62 ASN 0.19 -0.16 1 64 GLU 1.82 -0.18 1 65 GLU -2.22 0.06 1 66 ILE 0.65 -0.18 1 67 GLU -2.59 0.08 1 69 ASP -2.12 0.10 1 70 PHE 3.65 -0.52 1 71 GLU 1.40 -0.11 1 72 THR -0.41 0.13 1 73 LEU -1.95 0.04 1 74 LYS 1.78 -0.16 1 76 SER 4.59 -0.24 1 77 THR 6.70 -0.54 1 78 LEU 4.90 -0.56 1 79 ARG 3.34 -0.16 1 80 GLU 4.09 -0.14 1 81 LEU 3.04 -0.22 1 82 GLU 2.71 -0.58 1 83 ARG 4.42 -0.35 1 84 TYR 4.21 -0.25 1 86 LEU 4.29 -0.38 1 87 SER 3.72 -0.23 1 89 LEU 0.47 -0.05 1 90 ARG 3.28 -0.45 1 97 TYR 0.37 0.06 1 98 THR -0.65 -0.04 1 99 ILE -0.04 -0.04 1 100 LYS -0.26 0.00 1 101 LYS 0.08 -0.04 1 103 VAL 0.32 -0.01 1 105 LYS -1.27 0.20 1 106 THR -1.80 0.05 1 107 LYS 3.80 -0.27 1 108 GLU 3.06 -0.23 1 109 GLU 2.04 -0.29 1 110 LEU 2.66 -0.24 1 111 ALA 2.79 -0.14 1 112 LEU 2.54 -0.17 1 113 GLU 2.63 -0.28 1 114 LYS 2.86 -0.16 1 115 LYS 3.10 -0.21 1 116 ARG 2.84 -0.18 1 117 GLU 2.33 -0.24 1 118 LEU 2.25 -0.18 1 119 GLU 1.76 -0.27 1 120 LYS 2.16 -0.16 1 121 ARG 1.75 -0.08 1 122 LEU 1.42 -0.06 1 123 GLN 0.93 -0.08 1 124 ASP 0.47 -0.01 1 125 VAL 1.09 0.06 1 126 SER 0.92 -0.06 1 128 GLN 0.08 -0.02 1 129 LEU 0.57 -0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -2.59 _LACS_plot.Line_1_terminator_val_y_1 -0.62 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.23 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 2.55 _LACS_plot.Y_axis_chem_shift_offset -0.39 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 ILE 1.79 -1.76 0 49 HIS 3.30 4.28 0 11 THR 0.26 0.63 1 13 TYR -0.02 -0.40 1 14 ASP -0.37 -0.23 1 15 SER 0.12 0.21 1 16 GLU 0.01 0.17 1 17 GLU -0.35 0.18 1 18 GLU -0.14 0.26 1 19 GLU -0.22 0.34 1 20 GLU 0.07 -0.09 1 21 SER 1.09 0.56 1 24 MET -1.97 0.49 1 25 SER -1.34 -0.29 1 26 TYR 5.26 2.11 1 27 ASP 3.49 2.84 1 28 GLU 2.57 2.91 1 29 LYS 4.70 1.80 1 30 ARG 4.45 2.71 1 31 GLN 3.55 1.12 1 32 LEU 3.87 0.70 1 33 SER 4.14 2.29 1 34 LEU 3.44 2.50 1 35 ASP 4.26 3.42 1 36 ILE 5.57 1.69 1 37 ASN 2.07 0.84 1 38 LYS -0.11 0.73 1 42 GLU 3.65 0.30 1 43 LYS -0.03 2.20 1 44 LEU 3.48 1.55 1 46 ARG 3.17 1.64 1 47 VAL 6.59 0.91 1 48 VAL 6.05 0.83 1 50 ILE 5.11 1.34 1 51 ILE 5.98 1.05 1 52 GLN 4.41 1.04 1 53 ALA 2.20 2.25 1 54 ARG -2.31 0.20 1 57 SER 3.03 0.82 1 58 LEU -1.05 0.45 1 59 ARG 3.27 -0.12 1 60 ASP 0.13 -0.06 1 61 SER 0.34 -1.13 1 64 GLU 1.82 0.45 1 65 GLU -2.22 -0.47 1 66 ILE 0.65 -1.50 1 67 GLU -2.59 -0.92 1 69 ASP -2.12 1.04 1 70 PHE 3.65 1.20 1 71 GLU 1.40 1.34 1 72 THR -0.41 0.05 1 73 LEU -1.95 -0.98 1 76 SER 4.59 3.20 1 77 THR 6.70 1.46 1 78 LEU 4.90 1.47 1 79 ARG 3.34 2.82 1 80 GLU 4.09 3.00 1 81 LEU 3.04 0.53 1 82 GLU 2.71 1.42 1 83 ARG 4.42 3.17 1 84 TYR 4.21 2.96 1 85 VAL 6.67 1.73 1 86 LEU 4.29 2.05 1 87 SER 3.72 1.89 1 89 LEU 0.47 -0.25 1 90 ARG 3.28 1.67 1 97 TYR 0.37 -0.13 1 98 THR -0.65 -0.94 1 99 ILE -0.04 -0.46 1 100 LYS -0.26 -0.31 1 103 VAL 0.32 0.50 1 105 LYS -1.27 0.65 1 106 THR -1.80 0.59 1 107 LYS 3.80 2.37 1 108 GLU 3.06 2.11 1 109 GLU 2.04 2.63 1 110 LEU 2.66 1.38 1 111 ALA 2.79 2.36 1 112 LEU 2.54 1.37 1 113 GLU 2.63 2.06 1 114 LYS 2.86 1.72 1 115 LYS 3.10 1.70 1 116 ARG 2.84 2.10 1 117 GLU 2.33 1.73 1 118 LEU 2.25 1.18 1 119 GLU 1.76 1.49 1 120 LYS 2.16 1.12 1 121 ARG 1.75 1.15 1 122 LEU 1.42 0.52 1 123 GLN 0.93 0.28 1 124 ASP 0.47 0.63 1 125 VAL 1.09 0.56 1 126 SER 0.92 0.98 1 128 GLN 0.08 0.25 1 129 LEU 0.57 -0.35 1 stop_ save_